5-(1-aminoethyl)-1-ethyl-3,3-dimethylindol-2-one

C14H20N2O — CID 82172369

IUPAC5-(1-aminoethyl)-1-ethyl-3,3-dimethylindol-2-one
SMILESCCN1C(=O)C(C)(C)c2cc(C(C)N)ccc21
InChIInChI=1S/C14H20N2O/c1-5-16-12-7-6-10(9(2)15)8-11(12)14(3,4)13(16)17/h6-9H,5,15H2,1-4H3
InChIKeyKAWVRYYEXFDZMG-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.35
Rot. Bonds2

About 5-(1-aminoethyl)-1-ethyl-3,3-dimethylindol-2-one

5-(1-aminoethyl)-1-ethyl-3,3-dimethylindol-2-one (PubChem CID 82172369) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-(1-aminoethyl)-1-ethyl-3,3-dimethylindol-2-one.

Molecular Properties

Compound Name5-(1-aminoethyl)-1-ethyl-3,3-dimethylindol-2-one
PubChem CID82172369
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name5-(1-aminoethyl)-1-ethyl-3,3-dimethylindol-2-one
SMILESCCN1C(=O)C(C)(C)c2cc(C(C)N)ccc21
InChIInChI=1S/C14H20N2O/c1-5-16-12-7-6-10(9(2)15)8-11(12)14(3,4)13(16)17/h6-9H,5,15H2,1-4H3
InChIKeyKAWVRYYEXFDZMG-UHFFFAOYSA-N
XLogP2.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-1-ethyl-3,3-dimethylindol-2-one?
The IUPAC name of 5-(1-aminoethyl)-1-ethyl-3,3-dimethylindol-2-one (CID 82172369) is 5-(1-aminoethyl)-1-ethyl-3,3-dimethylindol-2-one.
What is the SMILES notation for 5-(1-aminoethyl)-1-ethyl-3,3-dimethylindol-2-one?
The canonical SMILES for 5-(1-aminoethyl)-1-ethyl-3,3-dimethylindol-2-one is CCN1C(=O)C(C)(C)c2cc(C(C)N)ccc21.
What is the InChIKey of 5-(1-aminoethyl)-1-ethyl-3,3-dimethylindol-2-one?
The InChIKey is KAWVRYYEXFDZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-5-16-12-7-6-10(9(2)15)8-11(12)14(3,4)13(16)17/h6-9H,5,15H2,1-4H3.
What are the key properties of 5-(1-aminoethyl)-1-ethyl-3,3-dimethylindol-2-one?
5-(1-aminoethyl)-1-ethyl-3,3-dimethylindol-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-1-ethyl-3,3-dimethylindol-2-one is sourced from PubChem (CID 82172369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).